2-N-(1,3-dihydrofuro[3,4-c]pyridin-6-yl)-2-N-methylpropane-1,2-diamine

C11H17N3O — CID 112710045

IUPAC2-N-(1,3-dihydrofuro[3,4-c]pyridin-6-yl)-2-N-methylpropane-1,2-diamine
SMILESCC(CN)N(C)c1cc2c(cn1)COC2
InChIInChI=1S/C11H17N3O/c1-8(4-12)14(2)11-3-9-6-15-7-10(9)5-13-11/h3,5,8H,4,6-7,12H2,1-2H3
InChIKeyRJJBMVGBZOYRPS-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.90
Rot. Bonds3

About 2-N-(1,3-dihydrofuro[3,4-c]pyridin-6-yl)-2-N-methylpropane-1,2-diamine

2-N-(1,3-dihydrofuro[3,4-c]pyridin-6-yl)-2-N-methylpropane-1,2-diamine (PubChem CID 112710045) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-N-(1,3-dihydrofuro[3,4-c]pyridin-6-yl)-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(1,3-dihydrofuro[3,4-c]pyridin-6-yl)-2-N-methylpropane-1,2-diamine
PubChem CID112710045
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-N-(1,3-dihydrofuro[3,4-c]pyridin-6-yl)-2-N-methylpropane-1,2-diamine
SMILESCC(CN)N(C)c1cc2c(cn1)COC2
InChIInChI=1S/C11H17N3O/c1-8(4-12)14(2)11-3-9-6-15-7-10(9)5-13-11/h3,5,8H,4,6-7,12H2,1-2H3
InChIKeyRJJBMVGBZOYRPS-UHFFFAOYSA-N
XLogP0.90
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1,3-dihydrofuro[3,4-c]pyridin-6-yl)-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-(1,3-dihydrofuro[3,4-c]pyridin-6-yl)-2-N-methylpropane-1,2-diamine (CID 112710045) is 2-N-(1,3-dihydrofuro[3,4-c]pyridin-6-yl)-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(1,3-dihydrofuro[3,4-c]pyridin-6-yl)-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-(1,3-dihydrofuro[3,4-c]pyridin-6-yl)-2-N-methylpropane-1,2-diamine is CC(CN)N(C)c1cc2c(cn1)COC2.
What is the InChIKey of 2-N-(1,3-dihydrofuro[3,4-c]pyridin-6-yl)-2-N-methylpropane-1,2-diamine?
The InChIKey is RJJBMVGBZOYRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8(4-12)14(2)11-3-9-6-15-7-10(9)5-13-11/h3,5,8H,4,6-7,12H2,1-2H3.
What are the key properties of 2-N-(1,3-dihydrofuro[3,4-c]pyridin-6-yl)-2-N-methylpropane-1,2-diamine?
2-N-(1,3-dihydrofuro[3,4-c]pyridin-6-yl)-2-N-methylpropane-1,2-diamine has a molecular weight of 207.28 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,3-dihydrofuro[3,4-c]pyridin-6-yl)-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 112710045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).